1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
TL;DR: 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 797796-85-1) is a chemical compound with molecular formula C20H22FN3O3S and molecular weight 403.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
Also Known As: 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one, F3226-1907, 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-[2-(dimethylamino)ethyl]-5-(3-fluorophenyl)-3-hydroxy-2,5-dihydro-1H-pyrrol-2-one, 1-(2-dimethylaminoethyl)-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one, 1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
| Molecular Formula | C20H22FN3O3S |
|---|---|
| Molecular Weight | 403.14 g/mol |
| LogP | 3.03894 |
| Topological Polar Surface Area | 73.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.1366 |
| Heavy Atoms | 28 |
| Complexity | 967.3555 |
Chemical Identifiers
| CAS Number | 797796-85-1 |
|---|---|
| SMILES | CC1=C(SC(=N1)C)C(=O)C2=C(C(=O)N(C2C3=CC(=CC=C3)F)CCN(C)C)O |
Product Overview
1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 797796-85-1), with molecular formula C20H22FN3O3S and molecular weight 403.14 g/mol. IUPAC: 1-[2-(dimethylamino)ethyl]-3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-2-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.
Chemical Property Profile of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
Property Insights of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
The XLogP value of 3.03894 indicates that 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The CAS number of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 797796-85-1.
What is the molecular formula of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular formula of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is C20H22FN3O3S.
What is the molecular weight of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
The molecular weight of 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one is 403.14 g/mol.
Where can I buy 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
You can request a quote for 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(dimethylamino)ethyl)-4-(2,4-dimethylthiazole-5-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.